In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2005 | 31 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -1.43 | -10.95 | -148.79 | 4 | 13 | -2 | 213 | 454.332 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 6.68e-01 g/l | DrugBank-experimental |
Melting_Point | >300? | Alfa-Aesar |
Melting_Point | >300° | Alfa-Aesar |
PUBCHEM_PATENT_ID | EP0027631A1; EP0955050A1; US4255566; US4259232; US4668630; US5095115 | IBM Patent Data |